Surface and interlayer structure of vermiculite intercalated with methyl viologen

DSpace/Manakin Repository

aaK citaci nebo jako odkaz na tento záznam použijte identifikátor:

Show simple item record Kulhánková, Lenka Čapková, Pavla De Valle, Veronika Ramirez Poyato, Juan Pérez-Rodríguez, Jose Luis Lerf, Anton 2008-12-02T07:25:26Z 2008-12-02T07:25:26Z 2008
dc.identifier.citation Journal of molecular modeling. 2008, vol. 14, no. 12, p. 1183-1189. en
dc.identifier.issn 1610-2940
dc.identifier.issn 0948-5023
dc.description.abstract Molecular modeling using empirical force field revealed the differences between the surface and interlayer arrangement of the dye guest molecules in vermiculite intercalated with the divalent methyl viologen cation (MV2+). Conformation and anchoring of MV2+ cations on the silicate layer in the interlayer space of vermiculite host structure is different from that on the crystal surface. A preferential position has been found for the anchoring of guests on the silicate layer. Anyway the arrangement of guests in the interlayer space as well as on the crystal surface exhibits a high degree of disorder due to a certain flexibility in guest molecules arrangement and first of all due to the presence of water molecules in the interlayer space. The presence of water disturbs not only the regularity in guest positions and orientations but also in conformation of guest molecules in the interlayer space of the host structure. en
dc.language.iso en en
dc.publisher Springer en
dc.relation.ispartofseries Journal of molecular modeling en
dc.relation.uri en
dc.subject molecular modeling en
dc.subject methyl viologen en
dc.subject MV2+ en
dc.subject vermiculite en
dc.title Surface and interlayer structure of vermiculite intercalated with methyl viologen en
dc.type article en
dc.identifier.location Není ve fondu ÚK en
dc.identifier.doi 10.1007/s00894-008-0369-x
dc.identifier.wos 000260376100007

Files in this item

Files Size Format View

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record

Search DSpace

Advanced Search



My Account